Geometry & MOs

Info

ID:	180980
PubChem CID:	76713162
Reduced:	O2F4N4H16C21 (1)
Stoich.:	A2B4C4D16E21 (1)
Weight, g/mol:	526.357072
ΔH_f, kcal/mol:	-129.37
Dipole, Da:	5.74
IP(EA), eV:	-9.36(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[1-[2-(4-fluorophenyl)phenyl]-1-hydroxy-5-methoxypentyl]piperidin-1-yl]-5-methyl-3-(methylaminomethyl)hexan-1-one

Drug info:

PubChemData

Smile

CC(C1=NN=C(N1C)C2=CC=CC=C2C(F)(F)F)OC3=C(C=C(C=C3)F)C4=CC=NO4

DOS

IR

Vibrations